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  1. Third-Parties
  2. MatprojStructure
  3. mp-556908

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-556908
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Nd', 'As', 'Cl', 'O']
  • Chemical System: As-Cl-Nd-O
  • Density: 5.4143104422339
  • Atomic Density: 0.05931694662958176
  • Unit Cell Volume: 809.212252608803
  • Molar Volume: 10.152479354014352
  • Full Formula: Nd10 As8 Cl6 O24
  • Reduced Formula: Nd5As4(ClO4)3
  • Formula Anonymous: A3B4C5D12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -352.43373315
  • Final energy per atom: -7.342369440625
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.